| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.1 | Low | 62.9 | Low | 248 Ų | 248 | 140.3 Ų | 140.3 | 100% | 1.222 | 75% | 0.746 | S | S | * | * | 0 | 91.7 | 0 | -67.3 | 160.1 | 67.9 | 0 | 0 | 108.5 | |||||
| 2 | S | 62.9 | Low | 64 | Low | 136 Ų | 136 | 133.2 Ų | 133.2 | 95% | 0.951 | 72% | 0.716 | S | S | * | * | trans | -148.9 | 126.1 | 175.8 | -165.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | G | 63.4 | Low | 65.6 | Low | 65 Ų | 65 | 136.3 Ų | 136.3 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | trans | 159.5 | 4.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 4 | R | 62.9 | Low | 67.1 | Low | 242 Ų | 242 | 130.7 Ų | 130.7 | 91% | 0.913 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -89.3 | -12 | -179.5 | -69.7 | -174.3 | 165.2 | -157.3 | -2.8 | 114.9 | ||
| 5 | S | 60.3 | Low | 68.5 | Low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -81.2 | -33.8 | -170 | -167.2 | 0 | 0 | 0 | 0 | 114.8 | R7 A8 | S5-R7 PolarHBondContact O-N 3.43Å; S5-R7 VanDerWaalsContact O-N 3.14Å; S5-A8 PolarHBondContact O-N 3.15Å |
| 6 | V | 61.7 | Low | 70 | Confident | 116 Ų | 116 | 127.8 Ų | 127.8 | 70% | 0.703 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -66.3 | -23.1 | -175 | -167.2 | 0 | 0 | 0 | 0 | 113.3 | T10 | V6-T10 PolarHBondContact O-OG1 3.46Å |
| 7 | R | 61.1 | Low | 71.4 | Confident | 183 Ų | 183 | 125.2 Ų | 125.2 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -80.2 | -21.7 | -176.7 | -164 | 178.2 | -174.2 | -162.2 | 2.2 | 113.6 | S5 T10 | S5-R7 PolarHBondContact O-N 3.43Å; S5-R7 VanDerWaalsContact O-N 3.14Å; R7-T10 PolarHBondContact O-OG1 3.39Å |
| 8 | A | 64.6 | Low | 72.6 | Confident | 73 Ų | 73 | 124.2 Ų | 124.2 | 60% | 0.603 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -76 | -41.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S5 T10 R11 | S5-A8 PolarHBondContact O-N 3.15Å; A8-T10 PolarHBondContact O-N 3.35Å; A8-R11 PolarHBondContact O-N 3.07Å |
| 9 | E | 65.6 | Low | 73.8 | Confident | 128 Ų | 128 | 125 Ų | 125 | 60% | 0.598 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.2 | -28.9 | -175.7 | -170.2 | 160.9 | 102.4 | 0 | 0 | 113.7 | R11 S12 | E9-R11 VanDerWaalsContact C-N 3.26Å; E9-R11 PolarHBondContact O-N 2.82Å; E9-S12 PolarHBondContact O-OG 3.36Å |
| 10 | T | 65.6 | Low | 75 | Confident | 86 Ų | 86 | 127.4 Ų | 127.4 | 53% | 0.528 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -73.3 | -17 | 179.6 | 40.2 | 0 | 0 | 0 | 0 | 113.5 | V6 R7 A8 | V6-T10 PolarHBondContact O-OG1 3.46Å; R7-T10 PolarHBondContact O-OG1 3.39Å; A8-T10 PolarHBondContact O-N 3.35Å |
| 11 | R | 68.3 | Low | 76 | Confident | 165 Ų | 165 | 124.6 Ų | 124.6 | 62% | 0.623 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -87 | -21.5 | -179.5 | -74.8 | -174 | 172.3 | -122.2 | -3.8 | 114.4 | A8 E9 | A8-R11 PolarHBondContact O-N 3.07Å; E9-R11 VanDerWaalsContact C-N 3.26Å; E9-R11 PolarHBondContact O-N 2.82Å |
| 12 | S | 76.2 | Confident | 78 | Confident | 55 Ų | 55 | 117.8 Ų | 117.8 | 39% | 0.385 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -75.6 | -50 | 177.3 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | E9 A14 K15 D16 | E9-S12 PolarHBondContact O-OG 3.36Å; S12-A14 VanDerWaalsContact C-N 3.33Å; S12-A14 PolarHBondContact O-N 3.43Å; S12-K15 WeakPolarHBondContact O-CA 2.89Å; S12-K15 WeakPolarHBondContact O-CB 3.05Å; S12-K15 PolarHBondContact O-N 2.99Å; S12-D16 VanDerWaalsContact C-OD2 3.32Å; S12-D16 PolarHBondContact O-N 2.79Å |
| 13 | R | 84.8 | Confident | 79.6 | Confident | 174 Ų | 174 | 113.1 Ų | 113.1 | 66% | 0.657 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -51.3 | -45.8 | -179.1 | -88 | 161.1 | 168.6 | 171.1 | -3.9 | 114.2 | K15 D16 D17 | R13-K15 VanDerWaalsContact C-N 3.28Å; R13-K15 PolarHBondContact O-N 3.35Å; R13-D16 PolarHBondContact O-N 2.81Å; R13-D17 WeakPolarHBondContact O-CB 3.47Å; R13-D17 PolarHBondContact O-N 3.43Å |
| 14 | A | 86.8 | Confident | 81.1 | Confident | 58 Ų | 58 | 112.3 Ų | 112.3 | 48% | 0.479 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.6 | -35.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S12 I18 | S12-A14 VanDerWaalsContact C-N 3.33Å; S12-A14 PolarHBondContact O-N 3.43Å; A14-I18 WeakPolarHBondContact O-CD1 3.34Å; A14-I18 VanDerWaalsContact O-CG1 3.31Å; A14-I18 WeakPolarHBondContact O-CG1 3.47Å; A14-I18 PolarHBondContact O-N 3.11Å |
| 15 | K | 88.4 | Confident | 82.6 | Confident | 142 Ų | 142 | 103.8 Ų | 103.8 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -76 | -36.7 | 177.3 | -68.2 | 179.7 | 175 | -175.3 | 0 | 112.3 | S12 R13 D17 K19 | S12-K15 WeakPolarHBondContact O-CA 2.89Å; S12-K15 WeakPolarHBondContact O-CB 3.05Å; S12-K15 PolarHBondContact O-N 2.99Å; R13-K15 VanDerWaalsContact C-N 3.28Å; R13-K15 PolarHBondContact O-N 3.35Å; K15-D17 VanDerWaalsContact C-N 3.35Å; K15-K19 WeakPolarHBondContact O-CG 3.3Å; K15-K19 PolarHBondContact O-N 3.32Å; K15-K19 VanDerWaalsContact O-N 3.12Å |
| 16 | D | 93.2 | Very high | 84.2 | Confident | 72 Ų | 72 | 104.6 Ų | 104.6 | 39% | 0.385 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.9 | -35.2 | 176.9 | -67 | -52.2 | 0 | 0 | 0 | 112 | S12 R13 K19 R20 | S12-D16 VanDerWaalsContact C-OD2 3.32Å; S12-D16 PolarHBondContact O-N 2.79Å; R13-D16 PolarHBondContact O-N 2.81Å; D16-K19 PolarHBondContact O-N 2.79Å; D16-K19 IonicContact OD1-NZ 3.96Å; D16-R20 WeakPolarHBondContact O-CB 3.38Å; D16-R20 PolarHBondContact O-N 3.33Å |
| 17 | D | 92.6 | Very high | 85.6 | Confident | 85 Ų | 85 | 106.2 Ų | 106.2 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 174.9 | -163.5 | 49.8 | 0 | 0 | 0 | 111.4 | R13 K15 K19 R20 V21 | R13-D17 WeakPolarHBondContact O-CB 3.47Å; R13-D17 PolarHBondContact O-N 3.43Å; K15-D17 VanDerWaalsContact C-N 3.35Å; D17-K19 VanDerWaalsContact C-N 3.35Å; D17-K19 PolarHBondContact O-N 2.91Å; D17-R20 WeakPolarHBondContact O-CB 3.43Å; D17-R20 PolarHBondContact O-N 2.72Å; D17-R20 VanDerWaalsContact O-N 3.16Å; D17-V21 WeakPolarHBondContact O-CB 3.41Å; D17-V21 WeakPolarHBondContact O-CG2 3.42Å; D17-V21 PolarHBondContact O-N 3.01Å |
| 18 | I | 94 | Very high | 87.2 | Confident | 106 Ų | 106 | 102 Ų | 102 | 54% | 0.544 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.1 | -47.7 | 173.2 | -67.4 | 164.5 | 0 | 0 | 0 | 110.9 | A14 R20 V21 M22 | A14-I18 WeakPolarHBondContact O-CD1 3.34Å; A14-I18 VanDerWaalsContact O-CG1 3.31Å; A14-I18 WeakPolarHBondContact O-CG1 3.47Å; A14-I18 PolarHBondContact O-N 3.11Å; I18-R20 VanDerWaalsContact C-N 3.33Å; I18-R20 PolarHBondContact O-N 2.66Å; I18-V21 PolarHBondContact O-N 3.36Å; I18-M22 HydrophobicContact CG2-CG 4.38Å; I18-M22 VanDerWaalsContact O-CG 3.27Å; I18-M22 WeakPolarHBondContact O-CG 3.2Å; I18-M22 PolarHBondContact O-N 3.32Å |
| 19 | K | 95.7 | Very high | 88.6 | Confident | 140 Ų | 140 | 107.4 Ų | 107.4 | 61% | 0.609 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.5 | -41.5 | 177.8 | -70.8 | 174.3 | -171.5 | 166.9 | 0 | 111.9 | K15 D16 D17 M22 A23 | K15-K19 WeakPolarHBondContact O-CG 3.3Å; K15-K19 PolarHBondContact O-N 3.32Å; K15-K19 VanDerWaalsContact O-N 3.12Å; D16-K19 PolarHBondContact O-N 2.79Å; D16-K19 IonicContact OD1-NZ 3.96Å; D17-K19 VanDerWaalsContact C-N 3.35Å; D17-K19 PolarHBondContact O-N 2.91Å; K19-M22 PolarHBondContact O-N 3.31Å; K19-A23 WeakPolarHBondContact O-CB 3.41Å; K19-A23 PolarHBondContact O-N 3.12Å |
| 20 | R | 96.4 | Very high | 89.9 | Confident | 172 Ų | 172 | 105.9 Ų | 105.9 | 65% | 0.649 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 178.1 | -172.3 | -173.9 | -61.9 | 157.5 | -1.4 | 111.3 | D16 D17 I18 A23 A24 | D16-R20 WeakPolarHBondContact O-CB 3.38Å; D16-R20 PolarHBondContact O-N 3.33Å; D17-R20 WeakPolarHBondContact O-CB 3.43Å; D17-R20 PolarHBondContact O-N 2.72Å; D17-R20 VanDerWaalsContact O-N 3.16Å; I18-R20 VanDerWaalsContact C-N 3.33Å; I18-R20 PolarHBondContact O-N 2.66Å; R20-A23 PolarHBondContact O-N 2.96Å; R20-A24 VanDerWaalsContact O-CB 3.27Å; R20-A24 WeakPolarHBondContact O-CB 3.33Å; R20-A24 PolarHBondContact O-N 3.48Å |
| 21 | V | 97 | Very high | 91.3 | Very high | 69 Ų | 69 | 107.1 Ų | 107.1 | 42% | 0.418 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -49.5 | 175.5 | 169 | 0 | 0 | 0 | 0 | 110.2 | D17 I18 A23 A24 I25 | D17-V21 WeakPolarHBondContact O-CB 3.41Å; D17-V21 WeakPolarHBondContact O-CG2 3.42Å; D17-V21 PolarHBondContact O-N 3.01Å; I18-V21 PolarHBondContact O-N 3.36Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 2.91Å; V21-A24 PolarHBondContact O-N 3.32Å; V21-A24 VanDerWaalsContact O-N 3.14Å; V21-I25 HydrophobicContact CG1-CD1 3.68Å; V21-I25 HydrophobicContact CG1-CG1 4.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.08Å; V21-I25 PolarHBondContact O-N 2.82Å |
| 22 | M | 97.2 | Very high | 92.6 | Very high | 105 Ų | 105 | 102.5 Ų | 102.5 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 177.7 | -67.7 | -61.3 | -117.8 | 0 | 0 | 111.6 | I18 K19 A24 I25 E26 | I18-M22 HydrophobicContact CG2-CG 4.38Å; I18-M22 VanDerWaalsContact O-CG 3.27Å; I18-M22 WeakPolarHBondContact O-CG 3.2Å; I18-M22 PolarHBondContact O-N 3.32Å; K19-M22 PolarHBondContact O-N 3.31Å; M22-A24 PolarHBondContact O-N 3.46Å; M22-I25 PolarHBondContact O-N 3.37Å; M22-E26 WeakPolarHBondContact O-CG 3.14Å; M22-E26 PolarHBondContact O-N 3.02Å |
| 23 | A | 95.4 | Very high | 93.6 | Very high | 39 Ų | 39 | 105.1 Ų | 105.1 | 32% | 0.322 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K19 R20 V21 E26 K27 | K19-A23 WeakPolarHBondContact O-CB 3.41Å; K19-A23 PolarHBondContact O-N 3.12Å; R20-A23 PolarHBondContact O-N 2.96Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 2.91Å; A23-E26 PolarHBondContact O-N 3.25Å; A23-K27 VanDerWaalsContact O-CG 3.32Å; A23-K27 WeakPolarHBondContact O-CG 2.98Å; A23-K27 PolarHBondContact O-N 3.47Å |
| 24 | A | 94.8 | Very high | 94.1 | Very high | 47 Ų | 47 | 101.6 Ų | 101.6 | 39% | 0.388 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67 | -40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R20 V21 M22 K27 V28 | R20-A24 VanDerWaalsContact O-CB 3.27Å; R20-A24 WeakPolarHBondContact O-CB 3.33Å; R20-A24 PolarHBondContact O-N 3.48Å; V21-A24 PolarHBondContact O-N 3.32Å; V21-A24 VanDerWaalsContact O-N 3.14Å; M22-A24 PolarHBondContact O-N 3.46Å; A24-K27 WeakPolarHBondContact O-CB 3.32Å; A24-K27 PolarHBondContact O-N 2.85Å; A24-V28 WeakPolarHBondContact O-CG2 3.5Å; A24-V28 PolarHBondContact O-N 2.97Å |
| 25 | I | 95.3 | Very high | 94.6 | Very high | 64 Ų | 64 | 104.3 Ų | 104.3 | 33% | 0.328 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 174.8 | -61.1 | 163.5 | 0 | 0 | 0 | 110 | V21 M22 K27 V28 R29 | V21-I25 HydrophobicContact CG1-CD1 3.68Å; V21-I25 HydrophobicContact CG1-CG1 4.29Å; V21-I25 WeakPolarHBondContact O-CG1 3.08Å; V21-I25 PolarHBondContact O-N 2.82Å; M22-I25 PolarHBondContact O-N 3.37Å; I25-K27 VanDerWaalsContact C-N 3.27Å; I25-K27 PolarHBondContact O-N 3.38Å; I25-V28 PolarHBondContact O-N 2.83Å; I25-R29 HydrophobicContact CG2-CG 4.2Å; I25-R29 WeakPolarHBondContact O-CB 3.41Å; I25-R29 VanDerWaalsContact O-CG 3.31Å; I25-R29 WeakPolarHBondContact O-CG 3.33Å; I25-R29 PolarHBondContact O-N 2.88Å |
| 26 | E | 93.9 | Very high | 94.9 | Very high | 117 Ų | 117 | 100.6 Ų | 100.6 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58 | -39.4 | 174.7 | -76.2 | 174 | -169.6 | 0 | 0 | 112.1 | M22 A23 K30 | M22-E26 WeakPolarHBondContact O-CG 3.14Å; M22-E26 PolarHBondContact O-N 3.02Å; A23-E26 PolarHBondContact O-N 3.25Å; E26-K30 WeakPolarHBondContact O-CG 3.11Å; E26-K30 PolarHBondContact O-N 3.42Å |
| 27 | K | 91.1 | Very high | 95.1 | Very high | 151 Ų | 151 | 100.7 Ų | 100.7 | 66% | 0.657 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.7 | -46.4 | 174.2 | -75.7 | 172.9 | -178.3 | 175.9 | 0 | 112.3 | A23 A24 I25 K30 W31 | A23-K27 VanDerWaalsContact O-CG 3.32Å; A23-K27 WeakPolarHBondContact O-CG 2.98Å; A23-K27 PolarHBondContact O-N 3.47Å; A24-K27 WeakPolarHBondContact O-CB 3.32Å; A24-K27 PolarHBondContact O-N 2.85Å; I25-K27 VanDerWaalsContact C-N 3.27Å; I25-K27 PolarHBondContact O-N 3.38Å; K27-K30 PolarHBondContact O-N 2.66Å; K27-W31 PolarHBondContact O-NE1 3.28Å |
| 28 | V | 94.4 | Very high | 95.3 | Very high | 94 Ų | 94 | 99.9 Ų | 99.9 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -71.6 | -32.1 | -179.3 | 176 | 0 | 0 | 0 | 0 | 111.9 | A24 I25 K30 W31 | A24-V28 WeakPolarHBondContact O-CG2 3.5Å; A24-V28 PolarHBondContact O-N 2.97Å; I25-V28 PolarHBondContact O-N 2.83Å; V28-K30 PolarHBondContact O-N 3.14Å; V28-W31 WeakPolarHBondContact O-CB 3.45Å; V28-W31 PolarHBondContact O-N 3.46Å |
| 29 | R | 94.5 | Very high | 95.2 | Very high | 186 Ų | 186 | 98.2 Ų | 98.2 | 70% | 0.702 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.6 | -26.2 | 175.1 | -81.5 | -179.5 | 172.3 | 125.9 | 5.4 | 113.2 | I25 W31 | I25-R29 HydrophobicContact CG2-CG 4.2Å; I25-R29 WeakPolarHBondContact O-CB 3.41Å; I25-R29 VanDerWaalsContact O-CG 3.31Å; I25-R29 WeakPolarHBondContact O-CG 3.33Å; I25-R29 PolarHBondContact O-N 2.88Å; R29-W31 PolarHBondContact O-N 3.02Å |
| 30 | K | 92.7 | Very high | 95 | Very high | 97 Ų | 97 | 99.5 Ų | 99.5 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 26.3 | 173.9 | -61.9 | -179.1 | -175 | -174.1 | 0 | 111.7 | E26 K27 V28 V51 E53 | E26-K30 WeakPolarHBondContact O-CG 3.11Å; E26-K30 PolarHBondContact O-N 3.42Å; K27-K30 PolarHBondContact O-N 2.66Å; V28-K30 PolarHBondContact O-N 3.14Å; K30-V51 HydrophobicContact CB-CB 4.4Å; K30-V51 VanDerWaalsContact O-CA 3.3Å; K30-V51 WeakPolarHBondContact O-CA 3.41Å; K30-V51 WeakPolarHBondContact O-CB 3.37Å; K30-V51 WeakPolarHBondContact O-CG2 3.27Å; K30-V51 PolarHBondContact O-N 2.84Å; K30-E53 IonicContact NZ-OE1 2.91Å; K30-E53 PolarHBondContact NZ-OE1 3.44Å |
| 31 | W | 95.8 | Very high | 94.8 | Very high | 112 Ų | 112 | 94.8 Ų | 94.8 | 42% | 0.424 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 132.3 | 173.3 | -73.5 | 30.7 | 0 | 0 | 0 | 109.1 | K27 V28 R29 W48 V49 P50 | K27-W31 PolarHBondContact O-NE1 3.28Å; V28-W31 WeakPolarHBondContact O-CB 3.45Å; V28-W31 PolarHBondContact O-N 3.46Å; R29-W31 PolarHBondContact O-N 3.02Å; W31-W48 HydrophobicContact CB-CB 4.44Å; W31-W48 HydrophobicContact CB-CE3 4.22Å; W31-W48 HydrophobicContact CE3-CB 3.6Å; W31-W48 HydrophobicContact CZ3-CB 4.29Å; W31-V49 WeakPolarHBondContact CA-O 3.27Å; W31-P50 HydrophobicContact CZ2-CG 4.11Å |
| 32 | E | 95.6 | Very high | 94.6 | Very high | 67 Ų | 67 | 97.3 Ų | 97.3 | 31% | 0.313 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 144.5 | 177.1 | 61.2 | 176.6 | -175.5 | 0 | 0 | 110.6 | K34 W48 V49 V51 | E32-K34 VanDerWaalsContact CD-CE 3.42Å; E32-K34 HydrophobicContact CG-CG 3.75Å; E32-K34 PolarHBondContact O-N 2.97Å; E32-K34 WeakPolarHBondContact OE1-CE 3.32Å; E32-K34 WeakPolarHBondContact OE1-CG 3.45Å; E32-K34 IonicContact OE1-NZ 2.66Å; E32-K34 PolarHBondContact OE1-NZ 3.46Å; E32-K34 WeakPolarHBondContact OE2-CE 3.49Å; E32-K34 IonicContact OE2-NZ 2.66Å; E32-K34 PolarHBondContact OE2-NZ 3.2Å; E32-W48 WeakPolarHBondContact O-CA 3.41Å; E32-V49 PolarHBondContact N-O 3.38Å; E32-V49 PolarHBondContact O-N 2.88Å; E32-V51 HydrophobicContact CB-CG2 3.39Å; E32-V51 HydrophobicContact CG-CG2 3.37Å |
| 33 | K | 96.7 | Very high | 94.6 | Very high | 111 Ų | 111 | 97.6 Ų | 97.6 | 48% | 0.483 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 106.9 | 173.9 | -171.9 | 175.3 | 177.4 | 178.1 | 0 | 108.4 | Y46 W48 | K33-Y46 HydrophobicContact CD-CD1 4.13Å; K33-Y46 HydrophobicContact CD-CG 4.12Å; K33-Y46 VanDerWaalsContact CE-CD2 3.47Å; K33-Y46 HydrophobicContact CG-CD1 3.58Å; K33-Y46 HydrophobicContact CG-CE1 4.27Å; K33-Y46 HydrophobicContact CG-CG 3.9Å; K33-W48 HydrophobicContact CB-CD2 4.33Å; K33-W48 HydrophobicContact CB-CE3 4.02Å; K33-W48 HydrophobicContact CB-CH2 4.16Å; K33-W48 HydrophobicContact CB-CZ2 4.46Å; K33-W48 HydrophobicContact CB-CZ3 3.94Å; K33-W48 HydrophobicContact CD-CZ2 4.43Å |
| 34 | K | 95.6 | Very high | 94.5 | Very high | 100 Ų | 100 | 102.7 Ų | 102.7 | 44% | 0.435 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 147.3 | 178.8 | -74.8 | -79.2 | 171 | 79 | 0 | 110.8 | E32 V36 Y46 K47 V49 | E32-K34 VanDerWaalsContact CD-CE 3.42Å; E32-K34 HydrophobicContact CG-CG 3.75Å; E32-K34 PolarHBondContact O-N 2.97Å; E32-K34 WeakPolarHBondContact OE1-CE 3.32Å; E32-K34 WeakPolarHBondContact OE1-CG 3.45Å; E32-K34 IonicContact OE1-NZ 2.66Å; E32-K34 PolarHBondContact OE1-NZ 3.46Å; E32-K34 WeakPolarHBondContact OE2-CE 3.49Å; E32-K34 IonicContact OE2-NZ 2.66Å; E32-K34 PolarHBondContact OE2-NZ 3.2Å; K34-V36 PolarHBondContact O-N 3.43Å; K34-Y46 WeakPolarHBondContact O-CA 3.31Å; K34-K47 PolarHBondContact N-O 3.34Å; K34-K47 PolarHBondContact O-N 2.91Å; K34-V49 HydrophobicContact CB-CG2 4.3Å |
| 35 | W | 96.1 | Very high | 94.7 | Very high | 115 Ų | 115 | 104.7 Ų | 104.7 | 44% | 0.436 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 116.7 | 172.1 | -75.1 | 114.6 | 0 | 0 | 0 | 109.8 | R44 I45 Y46 | W35-R44 HydrophobicContact CB-CB 4.32Å; W35-R44 HydrophobicContact CD2-CB 4.46Å; W35-R44 HydrophobicContact CE3-CB 3.93Å; W35-R44 WeakPolarHBondContact CZ3-O 3.22Å; W35-I45 VanDerWaalsContact CE3-C 3.47Å; W35-Y46 AromaticContact CD1-CE1 3.52Å; W35-Y46 AromaticContact CD1-CZ 3.92Å; W35-Y46 AromaticContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD2 4.12Å; W35-Y46 AromaticContact CD2-CE1 3.58Å; W35-Y46 HydrophobicContact CD2-CE1 3.58Å; W35-Y46 HydrophobicContact CD2-CE2 4.03Å; W35-Y46 AromaticContact CD2-CG 3.99Å; W35-Y46 HydrophobicContact CD2-CG 3.99Å; W35-Y46 AromaticContact CD2-CZ 3.75Å; W35-Y46 AromaticContact CE2-CD1 3.9Å; W35-Y46 AromaticContact CE2-CD2 3.92Å; W35-Y46 AromaticContact CE2-CE1 3.32Å; W35-Y46 AromaticContact CE2-CE2 3.36Å; W35-Y46 AromaticContact CE2-CZ 3.01Å; W35-Y46 VanDerWaalsContact CE2-OH 3.24Å; W35-Y46 HydrophobicContact CE3-CD1 4.05Å; W35-Y46 AromaticContact CE3-CD2 3.96Å; W35-Y46 HydrophobicContact CE3-CD2 3.96Å; W35-Y46 HydrophobicContact CE3-CE1 4.32Å; W35-Y46 HydrophobicContact CE3-CE2 4.25Å; W35-Y46 AromaticContact CE3-CG 3.88Å; W35-Y46 HydrophobicContact CE3-CG 3.88Å; W35-Y46 AromaticContact CG-CD1 3.98Å; W35-Y46 HydrophobicContact CG-CD1 3.98Å; W35-Y46 AromaticContact CG-CE1 3.76Å; W35-Y46 HydrophobicContact CG-CE1 3.76Å; W35-Y46 AromaticContact CH2-CD2 3.41Å; W35-Y46 HydrophobicContact CH2-CD2 3.41Å; W35-Y46 VanDerWaalsContact CH2-CD2 3.41Å; W35-Y46 AromaticContact CH2-CE2 3.25Å; W35-Y46 HydrophobicContact CH2-CE2 3.25Å; W35-Y46 HydrophobicContact CH2-CG 4.18Å; W35-Y46 AromaticContact CH2-CZ 3.89Å; W35-Y46 HydrophobicContact CZ2-CD1 4.43Å; W35-Y46 AromaticContact CZ2-CD2 3.6Å; W35-Y46 HydrophobicContact CZ2-CD2 3.6Å; W35-Y46 AromaticContact CZ2-CE1 3.91Å; W35-Y46 HydrophobicContact CZ2-CE1 3.91Å; W35-Y46 AromaticContact CZ2-CE2 2.96Å; W35-Y46 HydrophobicContact CZ2-CE2 2.96Å; W35-Y46 HydrophobicContact CZ2-CG 4.31Å; W35-Y46 AromaticContact CZ2-CZ 3.13Å; W35-Y46 WeakPolarHBondContact CZ2-OH 3.4Å; W35-Y46 AromaticContact CZ3-CD2 3.59Å; W35-Y46 HydrophobicContact CZ3-CD2 3.59Å; W35-Y46 AromaticContact CZ3-CE2 3.89Å; W35-Y46 HydrophobicContact CZ3-CE2 3.89Å; W35-Y46 AromaticContact CZ3-CG 3.96Å; W35-Y46 HydrophobicContact CZ3-CG 3.96Å; W35-Y46 AromaticContact NE1-CE1 3.24Å; W35-Y46 AromaticContact NE1-CE2 3.97Å; W35-Y46 AromaticContact NE1-CZ 3.12Å; W35-Y46 PolarHBondContact NE1-OH 3.36Å |
| 36 | V | 95.5 | Very high | 94.7 | Very high | 63 Ų | 63 | 106.8 Ų | 106.8 | 38% | 0.382 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | K34 R44 I45 K47 V49 | K34-V36 PolarHBondContact O-N 3.43Å; V36-R44 CarbonylContact O-C 3.58Å; V36-R44 WeakPolarHBondContact O-CA 3.43Å; V36-I45 PolarHBondContact N-O 2.92Å; V36-I45 PolarHBondContact O-N 3.21Å; V36-K47 HydrophobicContact CB-CB 4.38Å; V36-K47 HydrophobicContact CG2-CB 3.88Å; V36-V49 HydrophobicContact CG2-CG2 4.13Å |
| 37 | T | 96.6 | Very high | 94.9 | Very high | 75 Ų | 75 | 107.5 Ų | 107.5 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 141.4 | 177.4 | -52.4 | 0 | 0 | 0 | 0 | 110.8 | T41 L43 | T37-T41 WeakPolarHBondContact CG2-O 3.45Å; T37-L43 WeakPolarHBondContact CA-O 3.33Å; T37-L43 WeakPolarHBondContact CG2-O 3.5Å |
| 38 | V | 96.1 | Very high | 95.1 | Very high | 68 Ų | 68 | 107.7 Ų | 107.7 | 41% | 0.412 | 53% | 0.53 | S | S | . | . | trans | -100.9 | 114.1 | -178.6 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | T41 L43 I45 | V38-T41 PolarHBondContact O-N 2.87Å; V38-T41 PolarHBondContact O-OG1 3.25Å; V38-L43 PolarHBondContact N-O 2.9Å; V38-I45 HydrophobicContact CG2-CB 3.99Å; V38-I45 HydrophobicContact CG2-CD1 3.43Å; V38-I45 VanDerWaalsContact CG2-CD1 3.43Å; V38-I45 HydrophobicContact CG2-CG1 3.5Å | ||
| 39 | G | 92.4 | Very high | 95.1 | Very high | 70 Ų | 70 | 105.5 Ų | 105.5 | 72% | 0.722 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | -139.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 40 | D | 91.9 | Very high | 95.1 | Very high | 167 Ų | 167 | 100.2 Ų | 100.2 | 89% | 0.893 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 4.9 | 176.6 | 60.4 | -29.2 | 0 | 0 | 0 | 113.5 | ||
| 41 | T | 93.3 | Very high | 95.1 | Very high | 74 Ų | 74 | 97.9 Ų | 97.9 | 45% | 0.454 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -86.5 | 165.5 | -178.6 | 72.1 | 0 | 0 | 0 | 0 | 112.9 | T37 V38 L43 | T37-T41 WeakPolarHBondContact CG2-O 3.45Å; V38-T41 PolarHBondContact O-N 2.87Å; V38-T41 PolarHBondContact O-OG1 3.25Å; T41-L43 PolarHBondContact O-N 2.83Å; T41-L43 WeakPolarHBondContact OG1-CB 3.44Å; T41-L43 PolarHBondContact OG1-N 3.23Å |
| 42 | S | 92 | Very high | 94.4 | Very high | 122 Ų | 122 | 98.3 Ų | 98.3 | 85% | 0.853 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -77.8 | 0.5 | 171.3 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 43 | L | 96.4 | Very high | 92.8 | Very high | 111 Ų | 111 | 101.6 Ų | 101.6 | 58% | 0.581 | 53% | 0.531 | S | S | * | . | trans | -74.9 | 137.7 | -177.8 | -132.5 | 92.2 | 0 | 0 | 0 | 111.1 | T37 V38 T41 | T37-L43 WeakPolarHBondContact CA-O 3.33Å; T37-L43 WeakPolarHBondContact CG2-O 3.5Å; V38-L43 PolarHBondContact N-O 2.9Å; T41-L43 PolarHBondContact O-N 2.83Å; T41-L43 WeakPolarHBondContact OG1-CB 3.44Å; T41-L43 PolarHBondContact OG1-N 3.23Å | ||
| 44 | R | 94.9 | Very high | 91.1 | Very high | 145 Ų | 145 | 100.5 Ų | 100.5 | 55% | 0.547 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 136.8 | 176.5 | -62.7 | 170.5 | 72.5 | -165.4 | 5.1 | 109.8 | W35 V36 | W35-R44 HydrophobicContact CB-CB 4.32Å; W35-R44 HydrophobicContact CD2-CB 4.46Å; W35-R44 HydrophobicContact CE3-CB 3.93Å; W35-R44 WeakPolarHBondContact CZ3-O 3.22Å; V36-R44 CarbonylContact O-C 3.58Å; V36-R44 WeakPolarHBondContact O-CA 3.43Å |
| 45 | I | 97 | Very high | 89.2 | Confident | 89 Ų | 89 | 105.1 Ų | 105.1 | 46% | 0.456 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.9 | 142.6 | 177.4 | -62.6 | -174.7 | 0 | 0 | 0 | 109.2 | W35 V36 V38 K47 | W35-I45 VanDerWaalsContact CE3-C 3.47Å; V36-I45 PolarHBondContact N-O 2.92Å; V36-I45 PolarHBondContact O-N 3.21Å; V38-I45 HydrophobicContact CG2-CB 3.99Å; V38-I45 HydrophobicContact CG2-CD1 3.43Å; V38-I45 VanDerWaalsContact CG2-CD1 3.43Å; V38-I45 HydrophobicContact CG2-CG1 3.5Å; I45-K47 PolarHBondContact O-N 2.94Å |
| 46 | Y | 97.1 | Very high | 87 | Confident | 108 Ų | 108 | 104.1 Ų | 104.1 | 42% | 0.424 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70 | 120.4 | 170.2 | -77.6 | -63.6 | 0 | 0 | 0 | 111.2 | K33 K34 W35 | K33-Y46 HydrophobicContact CD-CD1 4.13Å; K33-Y46 HydrophobicContact CD-CG 4.12Å; K33-Y46 VanDerWaalsContact CE-CD2 3.47Å; K33-Y46 HydrophobicContact CG-CD1 3.58Å; K33-Y46 HydrophobicContact CG-CE1 4.27Å; K33-Y46 HydrophobicContact CG-CG 3.9Å; K34-Y46 WeakPolarHBondContact O-CA 3.31Å; W35-Y46 AromaticContact CD1-CE1 3.52Å; W35-Y46 AromaticContact CD1-CZ 3.92Å; W35-Y46 AromaticContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD2 4.12Å; W35-Y46 AromaticContact CD2-CE1 3.58Å; W35-Y46 HydrophobicContact CD2-CE1 3.58Å; W35-Y46 HydrophobicContact CD2-CE2 4.03Å; W35-Y46 AromaticContact CD2-CG 3.99Å; W35-Y46 HydrophobicContact CD2-CG 3.99Å; W35-Y46 AromaticContact CD2-CZ 3.75Å; W35-Y46 AromaticContact CE2-CD1 3.9Å; W35-Y46 AromaticContact CE2-CD2 3.92Å; W35-Y46 AromaticContact CE2-CE1 3.32Å; W35-Y46 AromaticContact CE2-CE2 3.36Å; W35-Y46 AromaticContact CE2-CZ 3.01Å; W35-Y46 VanDerWaalsContact CE2-OH 3.24Å; W35-Y46 HydrophobicContact CE3-CD1 4.05Å; W35-Y46 AromaticContact CE3-CD2 3.96Å; W35-Y46 HydrophobicContact CE3-CD2 3.96Å; W35-Y46 HydrophobicContact CE3-CE1 4.32Å; W35-Y46 HydrophobicContact CE3-CE2 4.25Å; W35-Y46 AromaticContact CE3-CG 3.88Å; W35-Y46 HydrophobicContact CE3-CG 3.88Å; W35-Y46 AromaticContact CG-CD1 3.98Å; W35-Y46 HydrophobicContact CG-CD1 3.98Å; W35-Y46 AromaticContact CG-CE1 3.76Å; W35-Y46 HydrophobicContact CG-CE1 3.76Å; W35-Y46 AromaticContact CH2-CD2 3.41Å; W35-Y46 HydrophobicContact CH2-CD2 3.41Å; W35-Y46 VanDerWaalsContact CH2-CD2 3.41Å; W35-Y46 AromaticContact CH2-CE2 3.25Å; W35-Y46 HydrophobicContact CH2-CE2 3.25Å; W35-Y46 HydrophobicContact CH2-CG 4.18Å; W35-Y46 AromaticContact CH2-CZ 3.89Å; W35-Y46 HydrophobicContact CZ2-CD1 4.43Å; W35-Y46 AromaticContact CZ2-CD2 3.6Å; W35-Y46 HydrophobicContact CZ2-CD2 3.6Å; W35-Y46 AromaticContact CZ2-CE1 3.91Å; W35-Y46 HydrophobicContact CZ2-CE1 3.91Å; W35-Y46 AromaticContact CZ2-CE2 2.96Å; W35-Y46 HydrophobicContact CZ2-CE2 2.96Å; W35-Y46 HydrophobicContact CZ2-CG 4.31Å; W35-Y46 AromaticContact CZ2-CZ 3.13Å; W35-Y46 WeakPolarHBondContact CZ2-OH 3.4Å; W35-Y46 AromaticContact CZ3-CD2 3.59Å; W35-Y46 HydrophobicContact CZ3-CD2 3.59Å; W35-Y46 AromaticContact CZ3-CE2 3.89Å; W35-Y46 HydrophobicContact CZ3-CE2 3.89Å; W35-Y46 AromaticContact CZ3-CG 3.96Å; W35-Y46 HydrophobicContact CZ3-CG 3.96Å; W35-Y46 AromaticContact NE1-CE1 3.24Å; W35-Y46 AromaticContact NE1-CE2 3.97Å; W35-Y46 AromaticContact NE1-CZ 3.12Å; W35-Y46 PolarHBondContact NE1-OH 3.36Å |
| 47 | K | 96.5 | Very high | 84.6 | Confident | 132 Ų | 132 | 108 Ų | 108 | 57% | 0.574 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.6 | 145.1 | 170 | -167.7 | 90.7 | 78.2 | 170.6 | 0 | 108.5 | K34 V36 I45 V49 | K34-K47 PolarHBondContact N-O 3.34Å; K34-K47 PolarHBondContact O-N 2.91Å; V36-K47 HydrophobicContact CB-CB 4.38Å; V36-K47 HydrophobicContact CG2-CB 3.88Å; I45-K47 PolarHBondContact O-N 2.94Å; K47-V49 HydrophobicContact CB-CG2 4.36Å; K47-V49 PolarHBondContact O-N 3.31Å |
| 48 | W | 96.5 | Very high | 82.4 | Confident | 155 Ų | 155 | 110 Ų | 110 | 59% | 0.587 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.8 | 116.8 | 166 | -64.7 | 101.4 | 0 | 0 | 0 | 108.9 | W31 E32 K33 | W31-W48 HydrophobicContact CB-CB 4.44Å; W31-W48 HydrophobicContact CB-CE3 4.22Å; W31-W48 HydrophobicContact CE3-CB 3.6Å; W31-W48 HydrophobicContact CZ3-CB 4.29Å; E32-W48 WeakPolarHBondContact O-CA 3.41Å; K33-W48 HydrophobicContact CB-CD2 4.33Å; K33-W48 HydrophobicContact CB-CE3 4.02Å; K33-W48 HydrophobicContact CB-CH2 4.16Å; K33-W48 HydrophobicContact CB-CZ2 4.46Å; K33-W48 HydrophobicContact CB-CZ3 3.94Å; K33-W48 HydrophobicContact CD-CZ2 4.43Å |
| 49 | V | 94.8 | Very high | 80.4 | Confident | 49 Ų | 49 | 116.2 Ų | 116.2 | 30% | 0.297 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 138.8 | -178.2 | -174.5 | 0 | 0 | 0 | 0 | 107.9 | W31 E32 K34 V36 K47 V51 | W31-V49 WeakPolarHBondContact CA-O 3.27Å; E32-V49 PolarHBondContact N-O 3.38Å; E32-V49 PolarHBondContact O-N 2.88Å; K34-V49 HydrophobicContact CB-CG2 4.3Å; V36-V49 HydrophobicContact CG2-CG2 4.13Å; K47-V49 HydrophobicContact CB-CG2 4.36Å; K47-V49 PolarHBondContact O-N 3.31Å; V49-V51 PolarHBondContact O-N 3.32Å |
| 50 | P | 94.6 | Very high | 78.5 | Confident | 75 Ų | 75 | 120 Ų | 120 | 49% | 0.487 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -58.9 | 127.5 | 175.2 | -22.3 | 32.7 | 0 | 0 | 0 | 111.5 | W31 T52 | W31-P50 HydrophobicContact CZ2-CG 4.11Å; P50-T52 PolarHBondContact O-N 3.16Å |
| 51 | V | 91.5 | Very high | 76.7 | Confident | 47 Ų | 47 | 120.7 Ų | 120.7 | 29% | 0.285 | 61% | 0.612 | S | S | . | * | trans | -81.6 | 99.7 | 167.4 | -173.9 | 0 | 0 | 0 | 0 | 106.9 | K30 E32 V49 E53 | K30-V51 HydrophobicContact CB-CB 4.4Å; K30-V51 VanDerWaalsContact O-CA 3.3Å; K30-V51 WeakPolarHBondContact O-CA 3.41Å; K30-V51 WeakPolarHBondContact O-CB 3.37Å; K30-V51 WeakPolarHBondContact O-CG2 3.27Å; K30-V51 PolarHBondContact O-N 2.84Å; E32-V51 HydrophobicContact CB-CG2 3.39Å; E32-V51 HydrophobicContact CG-CG2 3.37Å; V49-V51 PolarHBondContact O-N 3.32Å; V51-E53 PolarHBondContact O-N 3.43Å | ||
| 52 | T | 81.1 | Confident | 74.6 | Confident | 121 Ų | 121 | 124.1 Ų | 124.1 | 74% | 0.742 | 63% | 0.628 | S | S | * | * | trans | -67.3 | 121.6 | 157.9 | 52.4 | 0 | 0 | 0 | 0 | 106.3 | P50 P54 | P50-T52 PolarHBondContact O-N 3.16Å; T52-P54 WeakPolarHBondContact O-CD 3.41Å | ||
| 53 | E | 63.1 | Low | 72.8 | Confident | 137 Ų | 137 | 128.2 Ų | 128.2 | 64% | 0.64 | 63% | 0.63 | S | S | * | * | trans | -43.7 | 110 | 174.1 | -77.6 | 176.3 | -174.1 | 0 | 0 | 109 | K30 V51 K55 | K30-E53 IonicContact NZ-OE1 2.91Å; K30-E53 PolarHBondContact NZ-OE1 3.44Å; V51-E53 PolarHBondContact O-N 3.43Å; E53-K55 PolarHBondContact O-N 3.4Å | ||
| 54 | P | 60.2 | Low | 70.7 | Confident | 87 Ų | 87 | 131.4 Ų | 131.4 | 57% | 0.565 | 64% | 0.639 | S | S | * | * | trans | -66.8 | 111 | 167.4 | 26.2 | -26.8 | 0 | 0 | 0 | 104.3 | T52 S56 | T52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-S56 VanDerWaalsContact C-N 3.33Å; P54-S56 PolarHBondContact O-N 3.39Å | ||
| 55 | K | 54.7 | Low | 68.3 | Low | 198 Ų | 198 | 133.5 Ų | 133.5 | 86% | 0.861 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -52.8 | 106.5 | 166.9 | -76 | -165.4 | 177.6 | 173.4 | 0 | 106.3 | E53 | E53-K55 PolarHBondContact O-N 3.4Š|
| 56 | S | 50.1 | Low | 66.2 | Low | 93 Ų | 93 | 132.9 Ų | 132.9 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | trans | 53.1 | 87.4 | 170.5 | 58 | 0 | 0 | 0 | 0 | 116.9 | P54 | P54-S56 VanDerWaalsContact C-N 3.33Å; P54-S56 PolarHBondContact O-N 3.39Å | ||
| 57 | D | 45.4 | Very low | 63.8 | Low | 146 Ų | 146 | 137.4 Ų | 137.4 | 78% | 0.781 | 69% | 0.69 | S | S | * | * | trans | -89.4 | 32.6 | 135.7 | -99.4 | -57.8 | 0 | 0 | 0 | 110.6 | K59 | D57-K59 PolarHBondContact O-N 2.85Å; D57-K59 VanDerWaalsContact O-N 3.12Å | ||
| 58 | D | 50.8 | Low | 61.1 | Low | 115 Ų | 115 | 136.8 Ų | 136.8 | 62% | 0.615 | 69% | 0.693 | S | S | * | * | trans | -82.4 | 33.9 | 173.4 | -117.7 | -38.1 | 0 | 0 | 0 | 111.7 | N60 | D58-N60 PolarHBondContact O-N 3.12Š| ||
| 59 | K | 53.1 | Low | 58.6 | Low | 199 Ų | 199 | 137.2 Ų | 137.2 | 87% | 0.865 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 1 | 179.9 | -103.3 | -177.6 | -174 | 172.2 | 0 | 114.1 | D57 | D57-K59 PolarHBondContact O-N 2.85Å; D57-K59 VanDerWaalsContact O-N 3.12Å |
| 60 | N | 54.5 | Low | 56.4 | Low | 149 Ų | 149 | 142.5 Ų | 142.5 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | 5.7 | -173.2 | -159.5 | 39.7 | 0 | 0 | 0 | 118.3 | D58 | D58-N60 PolarHBondContact O-N 3.12Š|
| 61 | K | 53.6 | Low | 53.6 | Low | 183 Ų | 183 | 150.3 Ų | 150.3 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.8 | 13.6 | 173.7 | -95.5 | -167.3 | -173.3 | 171.2 | 0 | 119.6 | K63 | K61-K63 PolarHBondContact O-N 3.41Š|
| 62 | N | 49.6 | Very low | 51.2 | Low | 146 Ų | 146 | 151.9 Ų | 151.9 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | -106 | 69.1 | 174.4 | -78.6 | 46.3 | 0 | 0 | 0 | 113 | ||||
| 63 | K | 52.5 | Low | 49.6 | Very low | 207 Ų | 207 | 151.6 Ų | 151.6 | 90% | 0.9 | 78% | 0.776 | S | S | * | * | trans | -104.6 | 98.1 | 151.4 | -162.1 | 169 | -172.8 | 165.5 | 0 | 108.1 | K61 | K61-K63 PolarHBondContact O-N 3.41Š| ||
| 64 | K | 52.2 | Low | 48.6 | Very low | 179 Ų | 179 | 154 Ų | 154 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 130.5 | 124.4 | 139.9 | -155.1 | 165 | -180 | 161.6 | 0 | 115.5 | ||
| 65 | K | 46.1 | Very low | 48 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | 82.5 | 113.9 | 168.6 | -50.5 | -156.3 | 178.8 | -179.8 | 0 | 114.9 | ||||
| 66 | G | 52.1 | Low | 47.1 | Very low | 77 Ų | 77 | 152.6 Ų | 152.6 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | cis | 87.4 | 89.6 | 25.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 67 | K | 47.4 | Very low | 46.9 | Very low | 202 Ų | 202 | 154.4 Ų | 154.4 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | trans | -159.2 | 81.4 | 163.8 | -162.5 | 111.4 | 179.3 | -177.3 | 0 | 106.9 | ||||
| 68 | D | 39.8 | Very low | 47 | Very low | 120 Ų | 120 | 153.2 Ų | 153.2 | 64% | 0.642 | 80% | 0.801 | S | S | * | * | 69.1 | 87.9 | 111.9 | -167.2 | -124.5 | 0 | 0 | 0 | 112.2 | K70 | D68-K70 PolarHBondContact O-N 2.89Š| |||
| 69 | D | 43.1 | Very low | 46.8 | Very low | 164 Ų | 164 | 156.4 Ų | 156.4 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -66.2 | 111.1 | 155.2 | -94.3 | -71.5 | 0 | 0 | 0 | 109.1 | ||||
| 70 | K | 49.6 | Very low | 46.6 | Very low | 159 Ų | 159 | 154.2 Ų | 154.2 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | -144 | 98.4 | 155.8 | -72.8 | -164.3 | -150.6 | -179.4 | 0 | 109.9 | D68 | D68-K70 PolarHBondContact O-N 2.89Š| ||
| 71 | Y | 34.5 | Very low | 46.2 | Very low | 239 Ų | 239 | 152.5 Ų | 152.5 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | S | Bend | -177.8 | 121.6 | 120.2 | -118.7 | -98.8 | 0 | 0 | 0 | 109.9 | |||
| 72 | G | 41.8 | Very low | 46 | Very low | 81 Ų | 81 | 149.3 Ų | 149.3 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | 111.8 | 53.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 73 | S | 47.9 | Very low | 46.1 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -130.5 | 93.2 | 157.8 | 172.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 74 | E | 42 | Very low | 46.8 | Very low | 187 Ų | 187 | 143.2 Ų | 143.2 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -122.4 | 104.6 | 154.5 | -58.7 | -134.1 | 119.1 | 0 | 0 | 105.3 | ||||
| 75 | V | 46.7 | Very low | 47 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | 59.1 | 104.1 | 108.3 | 167.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 76 | T | 36.8 | Very low | 47.9 | Very low | 133 Ų | 133 | 136 Ų | 136 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | -173.9 | 110.9 | 119.7 | 39.8 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 77 | T | 45.1 | Very low | 48.5 | Very low | 131 Ų | 131 | 140.2 Ų | 140.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -107.8 | 134.6 | 151.8 | -27.2 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 78 | P | 48.1 | Very low | 49.1 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | -136.1 | 142.7 | 106.9 | 34 | -21.1 | 0 | 0 | 0 | 113 | |||||
| 79 | E | 46.8 | Very low | 50.4 | Low | 183 Ų | 183 | 139.4 Ų | 139.4 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -53.3 | 151.9 | 160.8 | -64.2 | -174.6 | 83.8 | 0 | 0 | 111.5 | ||||
| 80 | N | 48.6 | Very low | 51.5 | Low | 153 Ų | 153 | 138.5 Ų | 138.5 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 97.5 | 85.8 | 172.5 | -157.1 | -36.3 | 0 | 0 | 0 | 116.7 | ||||
| 81 | S | 47 | Very low | 52.2 | Low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -165.5 | 117 | 133.4 | -75 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 82 | S | 47.7 | Very low | 53.5 | Low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 4.9 | 141.6 | 145.3 | -148.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 83 | S | 52.9 | Low | 54.3 | Low | 105 Ų | 105 | 135.4 Ų | 135.4 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | cis | -173.2 | 171.7 | 15.9 | -129.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 84 | P | 66 | Low | 54.9 | Low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -88.9 | 138.9 | -165.9 | 35.6 | -31.1 | 0 | 0 | 0 | 113.4 | ||||
| 85 | G | 56.7 | Low | 55.6 | Low | 58 Ų | 58 | 132.2 Ų | 132.2 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | trans | -148.3 | 108.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 86 | M | 65.1 | Low | 56.5 | Low | 159 Ų | 159 | 135.1 Ų | 135.1 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | 41.8 | 78.2 | 65.3 | -61.4 | -54.7 | -57.3 | 0 | 0 | 112.2 | |||||
| 87 | M | 64.3 | Low | 57.4 | Low | 165 Ų | 165 | 134.9 Ų | 134.9 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | -143.6 | 104.5 | 122.9 | -43.8 | 81.3 | -161.6 | 0 | 0 | 106.8 | M89 | M87-M89 PolarHBondContact O-N 3.14Å; M87-M89 VanDerWaalsContact O-N 3.15Å | |||
| 88 | D | 61.2 | Low | 58.2 | Low | 115 Ų | 115 | 133.9 Ų | 133.9 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | trans | -44.4 | 114.7 | 151.8 | -140.6 | -102.2 | 0 | 0 | 0 | 106.7 | H90 | D88-H90 PolarHBondContact O-N 3.29Š| ||
| 89 | M | 67.4 | Low | 58.5 | Low | 189 Ų | 189 | 135.8 Ų | 135.8 | 93% | 0.931 | 77% | 0.77 | S | S | * | * | trans | -72.3 | 86.7 | 169.2 | -79.8 | -179.1 | 86.7 | 0 | 0 | 106.2 | M87 D91 | M87-M89 PolarHBondContact O-N 3.14Å; M87-M89 VanDerWaalsContact O-N 3.15Å; M89-D91 PolarHBondContact O-N 3.3Å | ||
| 90 | H | 65.6 | Low | 58.9 | Low | 146 Ų | 146 | 132 Ų | 132 | 68% | 0.676 | 77% | 0.769 | S | S | * | * | trans | -49.7 | 129.1 | 172 | -83.2 | -78.9 | 0 | 0 | 0 | 110 | D88 D92 | D88-H90 PolarHBondContact O-N 3.29Å; H90-D92 PolarHBondContact O-N 3.47Å; H90-D92 VanDerWaalsContact O-N 3.07Å | ||
| 91 | D | 64.3 | Low | 59.1 | Low | 140 Ų | 140 | 131.7 Ų | 131.7 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | -57.8 | 96.7 | 167.8 | -179.2 | 42.6 | 0 | 0 | 0 | 110.3 | M89 | M89-D91 PolarHBondContact O-N 3.3Š| ||
| 92 | D | 61.5 | Low | 59.3 | Low | 145 Ų | 145 | 132 Ų | 132 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -123.7 | 47.6 | 170.9 | -94.3 | -56.5 | 0 | 0 | 0 | 110.6 | H90 | H90-D92 PolarHBondContact O-N 3.47Å; H90-D92 VanDerWaalsContact O-N 3.07Å | ||
| 93 | N | 59.7 | Low | 59.1 | Low | 129 Ų | 129 | 131.1 Ų | 131.1 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | trans | -110.8 | 49.1 | 152.1 | -164.2 | 23.2 | 0 | 0 | 0 | 110.5 | N95 | N93-N95 PolarHBondContact O-N 3.35Å; N93-N95 VanDerWaalsContact O-N 3.11Å; N93-N95 PolarHBondContact OD1-ND2 3.01Å | ||
| 94 | S | 59.3 | Low | 59.2 | Low | 93 Ų | 93 | 130.8 Ų | 130.8 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | trans | -62.7 | 98.7 | 156.1 | -84.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 95 | N | 56.8 | Low | 58.5 | Low | 142 Ų | 142 | 130.5 Ų | 130.5 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -98.8 | 119.9 | 150.6 | -87.8 | -63.9 | 0 | 0 | 0 | 108.7 | N93 | N93-N95 PolarHBondContact O-N 3.35Å; N93-N95 VanDerWaalsContact O-N 3.11Å; N93-N95 PolarHBondContact OD1-ND2 3.01Å | ||
| 96 | Q | 65 | Low | 58.4 | Low | 183 Ų | 183 | 136.4 Ų | 136.4 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | -50.4 | 128.1 | -173.4 | -60.4 | -179.6 | -16.3 | 0 | 0 | 113.4 | ||||
| 97 | S | 55.9 | Low | 57.6 | Low | 128 Ų | 128 | 137 Ų | 137 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | trans | -148.1 | 79.8 | 142.9 | -75 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 98 | S | 61.9 | Low | 56.8 | Low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -80.9 | 121.4 | 146.2 | 174.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 99 | I | 54.9 | Low | 55.9 | Low | 161 Ų | 161 | 137.3 Ų | 137.3 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | 167.9 | 100.5 | 134.9 | 51 | 123.9 | 0 | 0 | 0 | 109.3 | ||||
| 100 | A | 55 | Low | 54.9 | Low | 102 Ų | 102 | 133.2 Ų | 133.2 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | 177.8 | 66.9 | 135.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 101 | D | 52.5 | Low | 54.1 | Low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -87 | 109.3 | 144.8 | 179.9 | 44.5 | 0 | 0 | 0 | 106.7 | ||||
| 102 | S | 51.8 | Low | 53.1 | Low | 118 Ų | 118 | 130.7 Ų | 130.7 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -153 | 85.9 | 160.3 | -72.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 103 | S | 44.2 | Very low | 52.3 | Low | 98 Ų | 98 | 129.4 Ų | 129.4 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | -41.2 | 176 | 157.2 | -136.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 104 | P | 55 | Low | 51.5 | Low | 98 Ų | 98 | 128.8 Ų | 128.8 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -146.1 | 175.3 | 1.9 | 45.2 | -26.2 | 0 | 0 | 0 | 116.6 | ||||
| 105 | V | 49.9 | Very low | 51.2 | Low | 114 Ų | 114 | 130.2 Ų | 130.2 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | 66.8 | 139.3 | 150.1 | -28.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 106 | K | 54.4 | Low | 50.7 | Low | 182 Ų | 182 | 128.1 Ų | 128.1 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | 71.4 | 110.6 | 149.7 | -67.4 | 170.8 | 179.7 | -172.5 | 0 | 118 | ||||
| 107 | Q | 49.7 | Very low | 49.9 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | -161.3 | 111.8 | 104.5 | -163.8 | 162.3 | -55.4 | 0 | 0 | 111.2 | N109 | Q107-N109 WeakPolarHBondContact CG-OD1 3.31Å; Q107-N109 PolarHBondContact NE2-OD1 3.42Å | |||
| 108 | E | 47.4 | Very low | 49.4 | Very low | 175 Ų | 175 | 127.3 Ų | 127.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -98.6 | 79.6 | 173.8 | 44.9 | 179.8 | 87.7 | 0 | 0 | 109 | ||||
| 109 | N | 42.3 | Very low | 48.5 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 60% | 0.599 | 77% | 0.769 | S | S | * | * | trans | -159.1 | 131 | 168.1 | -34.5 | 90.1 | 0 | 0 | 0 | 107.1 | Q107 | Q107-N109 WeakPolarHBondContact CG-OD1 3.31Å; Q107-N109 PolarHBondContact NE2-OD1 3.42Å | ||
| 110 | S | 46.8 | Very low | 47.7 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | cis | -163.5 | 151.9 | -4.5 | -75.8 | 0 | 0 | 0 | 0 | 105.8 | S112 | S110-S112 PolarHBondContact O-N 3.35Š| ||
| 111 | C | 47.3 | Very low | 47.2 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 89% | 0.892 | 77% | 0.768 | S | S | * | * | trans | -55.9 | 126.4 | 154.5 | -160.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 112 | S | 44.2 | Very low | 46.6 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -159.8 | 93.6 | 163.3 | -131.5 | 0 | 0 | 0 | 0 | 108.7 | S110 | S110-S112 PolarHBondContact O-N 3.35Š| ||
| 113 | T | 44.9 | Very low | 46.3 | Very low | 118 Ų | 118 | 124 Ų | 124 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | 56.7 | 114.5 | 107.3 | 64.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 114 | S | 41.3 | Very low | 46.1 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -43.1 | 158.5 | 161.8 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 115 | P | 53.4 | Low | 45.4 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | -140.7 | 137.6 | 106.4 | 33.2 | -18.1 | 0 | 0 | 0 | 113.9 | |||||
| 116 | A | 46.3 | Very low | 44.7 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -97 | 130.4 | 144.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 117 | P | 48.7 | Very low | 43.9 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | -136.6 | 164.4 | 113.3 | 29.6 | -10.3 | 0 | 0 | 0 | 108.9 | |||||
| 118 | E | 44.5 | Very low | 43.3 | Very low | 186 Ų | 186 | 128.6 Ų | 128.6 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | -160.4 | 138.9 | 66.6 | -60.3 | -163.7 | 103.5 | 0 | 0 | 111.9 | |||||
| 119 | S | 44.4 | Very low | 42.8 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -75 | 137.7 | 161 | 58.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 120 | N | 37.1 | Very low | 42.6 | Very low | 156 Ų | 156 | 128 Ų | 128 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -134.9 | 104.9 | 152.5 | -155 | -2.6 | 0 | 0 | 0 | 110.2 | ||||
| 121 | A | 44.4 | Very low | 42.3 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -93.2 | 117.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 122 | A | 40.3 | Very low | 41.8 | Very low | 85 Ų | 85 | 132 Ų | 132 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | trans | -150.6 | 103.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 123 | S | 44.7 | Very low | 41.5 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -47.3 | 130.4 | 158.3 | 46.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 124 | L | 40.5 | Very low | 41.3 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | -128.1 | 91.2 | 155 | -169.6 | 63 | 0 | 0 | 0 | 108 | ||||
| 125 | R | 41.8 | Very low | 41.3 | Very low | 230 Ų | 230 | 135.8 Ų | 135.8 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -87.4 | 156.1 | 158.7 | -70.8 | -178.4 | 79.4 | -153 | 4.3 | 107.8 | ||||
| 126 | D | 35.3 | Very low | 41.5 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | 97.1 | 105 | 160.5 | -149.1 | -106.5 | 0 | 0 | 0 | 116.2 | ||||
| 127 | N | 36.5 | Very low | 40.9 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | -159.9 | 120.7 | 119.3 | -151.1 | 31 | 0 | 0 | 0 | 108.3 | |||||
| 128 | G | 37.5 | Very low | 40.5 | Very low | 59 Ų | 59 | 136.2 Ų | 136.2 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | trans | -105.3 | 154.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 129 | E | 36.2 | Very low | 40.4 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -147.2 | 104.2 | 168.1 | -57.8 | -168.5 | 125.2 | 0 | 0 | 111.6 | ||||
| 130 | A | 37.8 | Very low | 39.8 | Very low | 90 Ų | 90 | 143.6 Ų | 143.6 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | 31.2 | 131.2 | 147.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 131 | K | 41.5 | Very low | 39.7 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | 169.9 | 114 | 102.1 | -80.4 | -168.5 | -168.7 | -168.3 | 0 | 108.8 | |||||
| 132 | T | 36.6 | Very low | 39.4 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | 58.4 | 116.5 | 100.5 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 133 | D | 37.4 | Very low | 39 | Very low | 133 Ų | 133 | 145 Ų | 145 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | -178.2 | 164.5 | 52.9 | -161.8 | -144 | 0 | 0 | 0 | 111.6 | |||||
| 134 | Q | 40.1 | Very low | 39 | Very low | 173 Ų | 173 | 146.5 Ų | 146.5 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | trans | 92.6 | 123.9 | 158.5 | -59.9 | -143.9 | 46.1 | 0 | 0 | 122.3 | ||||
| 135 | S | 42.1 | Very low | 39 | Very low | 108 Ų | 108 | 144 Ų | 144 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -107.6 | -162.2 | -179.7 | -157.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 136 | P | 57.8 | Low | 38.5 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | -116.1 | 176.1 | -117.8 | 33.3 | -11.9 | 0 | 0 | 0 | 114.2 | |||||
| 137 | D | 33.8 | Very low | 38.6 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | 136.1 | 123.6 | 132.1 | -157.7 | -124.8 | 0 | 0 | 0 | 117.7 | ||||
| 138 | S | 39.4 | Very low | 38.7 | Very low | 76 Ų | 76 | 139.5 Ų | 139.5 | 53% | 0.531 | 78% | 0.775 | S | S | . | * | trans | 45.2 | 117.2 | 143.2 | -68.9 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 139 | K | 42.6 | Very low | 38.8 | Very low | 195 Ų | 195 | 143 Ų | 143 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | 81.5 | 108.6 | 117.3 | -68.1 | -173.4 | -173.8 | -176.1 | 0 | 122 | |||||
| 140 | R | 33.3 | Very low | 38.8 | Very low | 261 Ų | 261 | 139.3 Ų | 139.3 | 99% | 0.985 | 78% | 0.78 | S | S | * | * | 178.6 | 132.1 | 119.6 | -127.4 | 176.2 | -166.5 | -150.6 | 2.7 | 107.6 | |||||
| 141 | G | 33.7 | Very low | 38.8 | Very low | 67 Ų | 67 | 142.5 Ų | 142.5 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | cis | 153.7 | 118.1 | 0.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 142 | K | 38.3 | Very low | 38.6 | Very low | 201 Ų | 201 | 145.6 Ų | 145.6 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | 173.6 | 116.2 | 143.5 | -119.5 | 130.6 | 172.9 | 179.9 | 0 | 111.5 | ||||
| 143 | S | 33.1 | Very low | 38.8 | Very low | 100 Ų | 100 | 143.4 Ų | 143.4 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | 54.3 | 131.8 | 138.5 | 64.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 144 | I | 44.6 | Very low | 39.1 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | 100.6 | 129.2 | 151.7 | -48.7 | -179.3 | 0 | 0 | 0 | 116.2 | ||||
| 145 | P | 39.1 | Very low | 39.1 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -75.2 | 135 | -179.9 | 32.2 | -35.4 | 0 | 0 | 0 | 111.6 | ||||
| 146 | T | 32.2 | Very low | 39.1 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -103 | 105 | 174.1 | 51.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 147 | S | 37.5 | Very low | 38.7 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -111.1 | 124.2 | 153 | -65 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 148 | E | 37.7 | Very low | 39.4 | Very low | 181 Ų | 181 | 149.1 Ų | 149.1 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 41.3 | 111.2 | 144.2 | -51.8 | -165.8 | 105.7 | 0 | 0 | 119.3 | ||||
| 149 | T | 39.9 | Very low | 39.2 | Very low | 132 Ų | 132 | 152.1 Ų | 152.1 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | 157.5 | 127.8 | 129.7 | 47.8 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 150 | S | 37.4 | Very low | 39.1 | Very low | 108 Ų | 108 | 148.6 Ų | 148.6 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -170.7 | 96.7 | 156.8 | -141.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 151 | E | 37.7 | Very low | 39.3 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | 62.7 | 99.9 | 68.2 | 95.4 | -157.1 | 83 | 0 | 0 | 112.7 | A153 | E151-A153 PolarHBondContact O-N 3.29Å; E151-A153 VanDerWaalsContact O-N 3.12Å | |||
| 152 | R | 37.4 | Very low | 39.5 | Very low | 256 Ų | 256 | 147.1 Ų | 147.1 | 97% | 0.966 | 81% | 0.808 | S | S | * | * | trans | -81.1 | 93.5 | 177.9 | -173.9 | 148.4 | -147.3 | 125.6 | 9.6 | 110.1 | ||||
| 153 | A | 40.4 | Very low | 39.5 | Very low | 84 Ų | 84 | 142.3 Ų | 142.3 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | trans | 32.6 | 107.7 | 143.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | E151 | E151-A153 PolarHBondContact O-N 3.29Å; E151-A153 VanDerWaalsContact O-N 3.12Å | ||
| 154 | Q | 42.4 | Very low | 39.5 | Very low | 204 Ų | 204 | 140.9 Ų | 140.9 | 95% | 0.953 | 80% | 0.801 | S | S | * | * | trans | -87.8 | 131.2 | 140.6 | -67.3 | -176.9 | -43.1 | 0 | 0 | 108.7 | ||||
| 155 | S | 41.1 | Very low | 39.2 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -110.4 | 143.9 | 166.8 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 156 | A | 42.1 | Very low | 39.3 | Very low | 81 Ų | 81 | 146.4 Ų | 146.4 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | trans | -112.9 | 148.1 | -150.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 157 | K | 49.8 | Very low | 39.5 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | 70.5 | 142.2 | 147.6 | -64.3 | 171.9 | -174.4 | -174.3 | 0 | 115.3 | ||||
| 158 | R | 48.4 | Very low | 39.3 | Very low | 209 Ų | 209 | 146.1 Ų | 146.1 | 79% | 0.789 | 80% | 0.803 | S | S | * | * | cis | -174 | 170.1 | 25.3 | 23.4 | -162.9 | 125.1 | 178 | 2.4 | 109.8 | ||||
| 159 | D | 34.1 | Very low | 39.3 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | 79.8 | 107.7 | 162.1 | -55.1 | -56.1 | 0 | 0 | 0 | 118.2 | ||||
| 160 | S | 39.9 | Very low | 39.1 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | 176.9 | 136 | 111.1 | -74.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 161 | L | 39.2 | Very low | 39.5 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -57.4 | 124.7 | -178 | -57.9 | 155.3 | 0 | 0 | 0 | 111.4 | S163 | L161-S163 PolarHBondContact O-N 3.12Š| ||
| 162 | S | 37.9 | Very low | 39.5 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | -89.9 | 87.1 | 158.1 | -172.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 163 | S | 38.6 | Very low | 39.3 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | -54 | 136.7 | 166 | 49.2 | 0 | 0 | 0 | 0 | 110.5 | L161 | L161-S163 PolarHBondContact O-N 3.12Š| ||
| 164 | G | 32.5 | Very low | 39.1 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -67.9 | 156.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 165 | E | 37 | Very low | 39 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -122 | 123.4 | 148.9 | -69 | -162.6 | 100.8 | 0 | 0 | 107.9 | ||||
| 166 | K | 42.6 | Very low | 38.6 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -70.8 | 163.5 | 159.5 | -57.5 | 170 | 170.7 | 175.4 | 0 | 107 | ||||
| 167 | D | 35.4 | Very low | 38.6 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | 178.6 | 169.7 | 51.3 | -133 | -57.6 | 0 | 0 | 0 | 110.3 | |||||
| 168 | S | 34.3 | Very low | 38 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | 74.6 | 129.3 | 159.6 | -97 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 169 | S | 36.4 | Very low | 37.3 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | cis | -158.6 | 141 | 22.2 | -53.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 170 | D | 36.3 | Very low | 37.2 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | -10.3 | 133.6 | 154.7 | -141 | -85.7 | 0 | 0 | 0 | 120.7 | ||||
| 171 | S | 46.3 | Very low | 37.2 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | -176.3 | 104.3 | 125.6 | -78.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 172 | K | 36.8 | Very low | 38.1 | Very low | 193 Ų | 193 | 134.1 Ų | 134.1 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | 40.9 | 122.1 | 132.9 | -108.2 | -174.7 | 171.3 | 170.4 | 0 | 123.7 | ||||
| 173 | A | 32.7 | Very low | 38.5 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | 69.6 | 136.3 | 126.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 174 | T | 36.8 | Very low | 38.5 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | cis | -171.3 | 143.8 | 37.2 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 175 | Q | 40.3 | Very low | 39.3 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 57.1 | 114.2 | 155.9 | -73.4 | 174.1 | -84.8 | 0 | 0 | 120.7 | ||||
| 176 | D | 32.7 | Very low | 40 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | 83.5 | 103.6 | 71.7 | -166.1 | -109.9 | 0 | 0 | 0 | 113.1 | |||||
| 177 | L | 42.4 | Very low | 40.2 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -161.6 | 95.7 | 143 | -128.4 | 76.6 | 0 | 0 | 0 | 108.9 | ||||
| 178 | Q | 37.5 | Very low | 40.5 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | trans | -0.7 | 142.8 | 136.7 | -98.8 | 171.2 | -64.8 | 0 | 0 | 116.6 | ||||
| 179 | E | 33.4 | Very low | 41.2 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -178.3 | 153.6 | 29.7 | -174.3 | 166 | 118.5 | 0 | 0 | 110.2 | ||||
| 180 | E | 33 | Very low | 41.2 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | trans | 78.6 | 110.8 | 150.2 | -88.7 | -80.6 | 116.2 | 0 | 0 | 122.2 | ||||
| 181 | T | 38.1 | Very low | 41.7 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -138.9 | 166.2 | 141.4 | 55.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 182 | P | 59.6 | Low | 41.6 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | -125.3 | -178.1 | -58.1 | 36.5 | -19.9 | 0 | 0 | 0 | 109.9 | |||||
| 183 | P | 46.1 | Very low | 42.2 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | -162.7 | 166.9 | 100.6 | 40.4 | -19.2 | 0 | 0 | 0 | 118.7 | |||||
| 184 | S | 39.2 | Very low | 43 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | 80.8 | 129.1 | 140.4 | -67.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 185 | K | 48.3 | Very low | 43.7 | Very low | 199 Ų | 199 | 148.9 Ų | 148.9 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -53.1 | 139.1 | 164.1 | -63.3 | 166.5 | 173 | 171.6 | 0 | 113.1 | ||||
| 186 | K | 51.1 | Low | 44.4 | Very low | 209 Ų | 209 | 148.5 Ų | 148.5 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | 149.4 | 126.2 | 130 | -83.1 | -179 | -178.2 | -174.6 | 0 | 114.1 | |||||
| 187 | S | 47.6 | Very low | 45.6 | Very low | 119 Ų | 119 | 152.3 Ų | 152.3 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -172 | 110.5 | 144.1 | 49.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 188 | K | 42.1 | Very low | 46.1 | Very low | 189 Ų | 189 | 152 Ų | 152 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | 70.9 | 102.6 | 69.7 | -159.5 | 165.8 | -178.3 | -179 | 0 | 113.9 | |||||
| 189 | L | 48 | Very low | 46.8 | Very low | 156 Ų | 156 | 154.2 Ų | 154.2 | 82% | 0.817 | 83% | 0.831 | S | S | * | * | trans | 24.6 | 124.1 | 140.2 | -68.6 | 154.3 | 0 | 0 | 0 | 118.4 | ||||
| 190 | E | 36.8 | Very low | 47.5 | Very low | 197 Ų | 197 | 154.4 Ų | 154.4 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | -157.7 | 143 | 128.4 | -158.1 | 164.9 | 82 | 0 | 0 | 111.4 | |||||
| 191 | S | 46.1 | Very low | 48.2 | Very low | 106 Ų | 106 | 154.5 Ų | 154.5 | 74% | 0.741 | 84% | 0.844 | S | S | * | * | trans | -72.7 | 157.3 | -171.2 | -54.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 192 | S | 45.5 | Very low | 48.8 | Very low | 128 Ų | 128 | 156.3 Ų | 156.3 | 90% | 0.895 | 85% | 0.85 | S | S | * | * | trans | -134.9 | 105.2 | 151.4 | -166.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 193 | S | 50 | Low | 48.1 | Very low | 110 Ų | 110 | 159.3 Ų | 159.3 | 77% | 0.769 | 86% | 0.859 | S | S | * | * | trans | -77.4 | 149.3 | 177.8 | -68.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 194 | Q | 48.8 | Very low | 48.3 | Very low | 186 Ų | 186 | 162.2 Ų | 162.2 | 87% | 0.869 | 87% | 0.867 | S | S | * | * | trans | -54.4 | 144.9 | 167.4 | -65.1 | 162.9 | -67.5 | 0 | 0 | 111.8 | ||||
| 195 | D | 52 | Low | 48.9 | Very low | 166 Ų | 166 | 165.1 Ų | 165.1 | 89% | 0.888 | 87% | 0.87 | S | S | * | * | trans | -131.2 | 130 | 149.1 | -158.1 | -115.7 | 0 | 0 | 0 | 108.3 | ||||
| 196 | F | 53.4 | Low | 48.9 | Very low | 165 Ų | 165 | 162.7 Ų | 162.7 | 72% | 0.724 | 87% | 0.87 | S | S | * | * | trans | -103.2 | 121.4 | -170.8 | -159.1 | -87.9 | 0 | 0 | 0 | 106.7 | E198 | F196-E198 HydrophobicContact CD1-CB 4.36Å; F196-E198 PolarHBondContact O-N 3.34Å | ||
| 197 | E | 58.7 | Low | 48.7 | Very low | 195 Ų | 195 | 159.2 Ų | 159.2 | 91% | 0.911 | 87% | 0.867 | S | S | * | * | trans | -78.9 | 110.9 | 174 | -160.3 | -163 | 135.4 | 0 | 0 | 108.5 | ||||
| 198 | E | 53.1 | Low | 48.8 | Very low | 161 Ų | 161 | 162.5 Ų | 162.5 | 75% | 0.752 | 87% | 0.87 | S | S | * | * | trans | -152.1 | 129.5 | 160.2 | -168.8 | 167.4 | 82.5 | 0 | 0 | 111.5 | F196 | F196-E198 HydrophobicContact CD1-CB 4.36Å; F196-E198 PolarHBondContact O-N 3.34Å | ||
| 199 | S | 51.7 | Low | 49.5 | Very low | 191 Ų | 191 | 160.1 Ų | 160.1 | 100% | 1.336 | 88% | 0.875 | S | S | * | * | trans | 91.2 | 0 | 169.4 | -56.8 | 0 | 0 | 0 | 0 | 118.5 |
Retrieved 199 of 199 residues in 87.1 ms
(Link to these results)